Cas no 90765-19-8 (Benzeneacetonitrile,2-amino-5-methyl-)

Benzeneacetonitrile,2-amino-5-methyl- structure
90765-19-8 structure
Product Name:Benzeneacetonitrile,2-amino-5-methyl-
CAS No:90765-19-8
MF:C9H10N2
MW:146.189101696014
CID:798760
PubChem ID:45078953
Update Time:2025-04-19

Benzeneacetonitrile,2-amino-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,2-amino-5-methyl-
    • Acetonitrile, (6-amino-m-tolyl)- (7CI)
    • 90765-19-8
    • ACETONITRILE,(6-AMINO-M-TOLYL)-
    • SCHEMBL16129049
    • DTXSID501292255
    • 2-(2-amino-5-methylphenyl)acetonitrile
    • 2-Amino-5-methylbenzeneacetonitrile
    • AKOS006364898
    • Inchi: 1S/C9H10N2/c1-7-2-3-9(11)8(6-7)4-5-10/h2-3,6H,4,11H2,1H3
    • InChI Key: GRRFIWVJHUORHX-UHFFFAOYSA-N
    • SMILES: NC1C=CC(C)=CC=1CC#N

Computed Properties

  • Exact Mass: 146.084
  • Monoisotopic Mass: 146.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 49.8A^2
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